Hello,
In some paper, one thought the DFT could not simulate Van der Waals interacation properly.I wonder if VASP can resolve this problem well?
Thanks.
Could VASP calculate the Van der Waals interaction well?
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ichthyornis
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Could VASP calculate the Van der Waals interaction well?
Last edited by ichthyornis on Thu Jun 02, 2005 1:39 pm, edited 1 time in total.
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admin
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Could VASP calculate the Van der Waals interaction well?
standard DFT codes usually do not account for Van der Waals forces very reliably.
Last edited by admin on Thu Jun 09, 2005 6:58 am, edited 1 time in total.